pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.85	Datawarrior	0	-1	O=S(=O)(Nc1ccccc1)C(F)(F)F	O=S(=O)([N-]c1ccccc1)C(F)(F)F	mol13277	O=S(=O)(Nc1ccccc1)C(F)(F)F
4.8499999	OCHEM	0	-1	O=S(=O)(Nc1ccccc1)C(F)(F)F	O=S(=O)([N-]c1ccccc1)C(F)(F)F	mol13277	O=S(=O)(Nc1ccccc1)C(F)(F)F
5.5	OCHEM	0	-1	O=S(=O)(Nc1ccccc1)C(F)(F)F	O=S(=O)([N-]c1ccccc1)C(F)(F)F	mol13277	O=S(=O)(Nc1ccccc1)C(F)(F)F
4.44999980926514	QSARToolbox	0	-1	O=S(=O)(Nc1ccccc1)C(F)(F)F	O=S(=O)([N-]c1ccccc1)C(F)(F)F	mol13277	O=S(=O)(Nc1ccccc1)C(F)(F)F
4.45	AttenGpKa training set	0	-1	O=S(=O)(Nc1ccccc1)C(F)(F)F	O=S(=O)([N-]c1ccccc1)C(F)(F)F	mol13277	O=S(=O)(Nc1ccccc1)C(F)(F)F